SCHEMBL4139852

SCHEMBL4139852

Cc1cc(N2CCN(CCc3coc4ccc(Cl)cc34)CC2)c2ncccc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.65
SLC6A4 P31645 2/20 0.65
KCNH2 Q12809 3/20 0.39
HTR6 P50406 1/20 0.39
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
DRD4 P21917 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TP53 P04637 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
HRH3 Q9Y5N1 2/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
HTR2A P28223 2/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
CYP3A4 P08684 1/20 0.37
CHRM1 P11229 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4140755 0.93 HTR1A (0.65) HTR1ASLC6A4KCNH2HTR6DRD2
SCHEMBL4144003 0.92 HTR1A (0.68) HTR1ASLC6A4KCNH2HTR6DRD2
SCHEMBL4139454 0.89 HTR1A (0.64) HTR1ASLC6A4KCNH2HTR6DRD2
SCHEMBL4143103 0.89 HTR1A (0.81) HTR1ASLC6A4KCNH2DRD2ALDH1A1
SCHEMBL4143104 0.88 HTR1A (0.63) HTR1ASLC6A4KCNH2DRD2DRD3
SCHEMBL4153116 0.84 HTR1A (0.68) HTR1ASLC6A4KCNH2DRD2DRD3
SCHEMBL4149524 0.83 HTR1A (0.62) HTR1ASLC6A4KCNH2DRD2DRD3
SCHEMBL4139895 0.83 HTR1A (0.81) HTR1ASLC6A4KCNH2HTR6DRD2
SCHEMBL4139201 0.83 HTR1A (0.80) HTR1ASLC6A4KCNH2DRD2DRD3
SCHEMBL4139638 0.82 HTR1A (0.63) HTR1ASLC6A4KCNH2DRD2DRD3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276603-B2 serotonin receptor antagonists such as 8-{4-[2-(1-benzofuran-3-yl)ethyl]-1-piperazinyl}-6-fluoroquinoline, used for treatment and/or prevention of depression, anxiety and cognitive deficits arising from Alzheimer's disease, neurodegenerative disorders, schizophrenia and prostate cancer WYETH (US) 2007-10-02 US claimed
US-20050059673-A1 Benzofuranyl-and benzothienyl-piperazinyl quinolines and methods of their use WYETH 2005-03-17 US claimed
US-20090054454-A1 BENZOFURANYL- AND BENZOTHIENYL- PIPERAZINYL QUINOLINES AND METHODS OF THEIR USE VENKATESAN ARANAPAKAM MUDUMBAI 2009-02-26 US disclosed
US-7276603-B2 serotonin receptor antagonists such as 8-{4-[2-(1-benzofuran-3-yl)ethyl]-1-piperazinyl}-6-fluoroquinoline, used for treatment and/or prevention of depression, anxiety and cognitive deficits arising from Alzheimer's disease, neurodegenerative disorders, schizophrenia and prostate cancer WYETH (US) 2007-10-02 US disclosed
EP-1641785-A2 BENZOFURANYL-AND BENZOTHIENYL-PIPERAZINYL QUINOLINES AS SEROTONIN REUPTAKE INHIBITORS Wyeth (US) 2006-04-05 EP disclosed
US-20050059673-A1 Benzofuranyl-and benzothienyl-piperazinyl quinolines and methods of their use WYETH 2005-03-17 US disclosed
WO-2004099191-A2 BENZOFURANYL-AND BENZOTHIENYL-PIPERAZINYL QUINOLINES AS SEROTONIN REUPTAKE INHIB ITORS WYETH (US) 2004-11-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090054454-A1 BENZOFURANYL- AND BENZOTHIENYL- PIPERAZINYL QUINOLINES AND METHODS OF THEIR USE TPH1, TPH2, HTR2C HTR1A 12/4885SLC6A4 14/4885KCNH2 1217/4885
US-20050059673-A1 Benzofuranyl-and benzothienyl-piperazinyl quinolines and methods of their use TPH1, TPH2, HTR2C HTR1A 12/4885SLC6A4 14/4885KCNH2 1217/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.